Glycoside
GD125526
Name:
Pterodontoside EFormula:
C21H38O8Smiles:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(OC3OC(CO)C(O)C(O)C3O)C2C1Aglycone:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.53 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD48106
Formula: C15H28O3
Smiles:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.39 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
